2-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide

C7H12N4OS2 — CID 63033445

IUPAC2-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide
SMILESCc1nnc(SCCC(N)C(N)=O)s1
InChIInChI=1S/C7H12N4OS2/c1-4-10-11-7(14-4)13-3-2-5(8)6(9)12/h5H,2-3,8H2,1H3,(H2,9,12)
InChIKeyGYNLHXHNJWZSCO-UHFFFAOYSA-N
MW232.33 g/mol
LogP0.14
Rot. Bonds5

About 2-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide

2-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide (PubChem CID 63033445) has the molecular formula C7H12N4OS2 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide.

Molecular Properties

Compound Name2-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide
PubChem CID63033445
Molecular FormulaC7H12N4OS2
Molecular Weight232.33 g/mol
Exact Mass232.05
IUPAC Name2-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide
SMILESCc1nnc(SCCC(N)C(N)=O)s1
InChIInChI=1S/C7H12N4OS2/c1-4-10-11-7(14-4)13-3-2-5(8)6(9)12/h5H,2-3,8H2,1H3,(H2,9,12)
InChIKeyGYNLHXHNJWZSCO-UHFFFAOYSA-N
XLogP0.14
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide
CID 63034349
(2S)-2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid
CID 70428933
2-ethoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanoic acid
CID 63098255
6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-2-amine
CID 64648507
N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine
CID 64650630
N-carbamoyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 47135642
2-amino-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanamide
CID 65043472
N'-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanimidamide
CID 60875612
2-methyl-5-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3,4-thiadiazole
CID 135334487
5-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]hexan-2-amine
CID 62577409
methyl 2-bromo-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
CID 81092372
N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 61386393

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide?
The IUPAC name of 2-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide (CID 63033445) is 2-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide.
What is the SMILES notation for 2-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide?
The canonical SMILES for 2-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide is Cc1nnc(SCCC(N)C(N)=O)s1.
What is the InChIKey of 2-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide?
The InChIKey is GYNLHXHNJWZSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS2/c1-4-10-11-7(14-4)13-3-2-5(8)6(9)12/h5H,2-3,8H2,1H3,(H2,9,12).
What are the key properties of 2-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide?
2-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide has a molecular weight of 232.33 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide is sourced from PubChem (CID 63033445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).